USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.259 K(o=-0.26,f=-3.1!) USER MOD Single : A 22 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.449) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.920 0.205 9.099 1.00 75.24 N ATOM 2 CA GLY A 1 -17.907 -1.185 9.524 1.00 14.02 C ATOM 3 C GLY A 1 -18.120 -2.125 8.335 1.00 53.21 C ATOM 4 O GLY A 1 -17.157 -2.603 7.736 1.00 4.24 O ATOM 0 H1 GLY A 1 -17.774 0.822 9.924 1.00 75.24 H new ATOM 0 H2 GLY A 1 -17.159 0.364 8.408 1.00 75.24 H new ATOM 0 H3 GLY A 1 -18.837 0.425 8.661 1.00 75.24 H new ATOM 0 HA2 GLY A 1 -16.956 -1.413 10.006 1.00 14.02 H new ATOM 0 HA3 GLY A 1 -18.688 -1.349 10.266 1.00 14.02 H new ATOM 8 N ILE A 2 -19.387 -2.361 8.028 1.00 62.21 N ATOM 9 CA ILE A 2 -19.738 -3.235 6.922 1.00 20.20 C ATOM 10 C ILE A 2 -20.411 -2.412 5.822 1.00 14.32 C ATOM 11 O ILE A 2 -21.475 -1.833 6.036 1.00 62.02 O ATOM 12 CB ILE A 2 -20.585 -4.410 7.415 1.00 43.51 C ATOM 13 CG1 ILE A 2 -20.077 -4.924 8.764 1.00 32.32 C ATOM 14 CG2 ILE A 2 -20.646 -5.520 6.365 1.00 71.52 C ATOM 15 CD1 ILE A 2 -21.044 -5.950 9.359 1.00 54.11 C ATOM 0 H ILE A 2 -20.183 -1.962 8.526 1.00 62.21 H new ATOM 0 HA ILE A 2 -18.842 -3.678 6.488 1.00 20.20 H new ATOM 0 HB ILE A 2 -21.604 -4.056 7.569 1.00 43.51 H new ATOM 0 HG12 ILE A 2 -19.093 -5.376 8.638 1.00 32.32 H new ATOM 0 HG13 ILE A 2 -19.958 -4.089 9.454 1.00 32.32 H new ATOM 0 HG21 ILE A 2 -21.254 -6.343 6.741 1.00 71.52 H new ATOM 0 HG22 ILE A 2 -21.089 -5.130 5.449 1.00 71.52 H new ATOM 0 HG23 ILE A 2 -19.638 -5.879 6.156 1.00 71.52 H new ATOM 0 HD11 ILE A 2 -20.660 -6.299 10.317 1.00 54.11 H new ATOM 0 HD12 ILE A 2 -22.020 -5.487 9.506 1.00 54.11 H new ATOM 0 HD13 ILE A 2 -21.142 -6.795 8.678 1.00 54.11 H new ATOM 27 N GLY A 3 -19.762 -2.385 4.666 1.00 43.21 N ATOM 28 CA GLY A 3 -20.283 -1.642 3.532 1.00 22.21 C ATOM 29 C GLY A 3 -20.000 -2.376 2.220 1.00 14.05 C ATOM 30 O GLY A 3 -19.034 -2.062 1.525 1.00 33.03 O ATOM 0 H GLY A 3 -18.880 -2.866 4.491 1.00 43.21 H new ATOM 0 HA2 GLY A 3 -21.357 -1.499 3.649 1.00 22.21 H new ATOM 0 HA3 GLY A 3 -19.831 -0.651 3.503 1.00 22.21 H new ATOM 34 N ALA A 4 -20.859 -3.339 1.919 1.00 31.23 N ATOM 35 CA ALA A 4 -20.713 -4.118 0.702 1.00 75.12 C ATOM 36 C ALA A 4 -20.809 -3.189 -0.509 1.00 53.43 C ATOM 37 O ALA A 4 -20.150 -3.415 -1.523 1.00 12.44 O ATOM 38 CB ALA A 4 -21.771 -5.223 0.674 1.00 32.51 C ATOM 0 H ALA A 4 -21.659 -3.597 2.497 1.00 31.23 H new ATOM 0 HA ALA A 4 -19.736 -4.600 0.670 1.00 75.12 H new ATOM 0 HB1 ALA A 4 -21.662 -5.808 -0.239 1.00 32.51 H new ATOM 0 HB2 ALA A 4 -21.641 -5.873 1.539 1.00 32.51 H new ATOM 0 HB3 ALA A 4 -22.765 -4.776 0.702 1.00 32.51 H new ATOM 44 N PHE A 5 -21.634 -2.163 -0.364 1.00 44.12 N ATOM 45 CA PHE A 5 -21.824 -1.198 -1.433 1.00 72.31 C ATOM 46 C PHE A 5 -20.720 -0.139 -1.419 1.00 24.24 C ATOM 47 O PHE A 5 -20.674 0.727 -2.292 1.00 55.24 O ATOM 48 CB PHE A 5 -23.172 -0.518 -1.188 1.00 5.03 C ATOM 49 CG PHE A 5 -24.250 -1.452 -0.634 1.00 41.22 C ATOM 50 CD1 PHE A 5 -24.629 -2.549 -1.344 1.00 14.44 C ATOM 51 CD2 PHE A 5 -24.829 -1.187 0.568 1.00 52.11 C ATOM 52 CE1 PHE A 5 -25.629 -3.416 -0.831 1.00 62.34 C ATOM 53 CE2 PHE A 5 -25.829 -2.054 1.081 1.00 3.32 C ATOM 54 CZ PHE A 5 -26.207 -3.150 0.371 1.00 71.42 C ATOM 0 H PHE A 5 -22.179 -1.979 0.478 1.00 44.12 H new ATOM 0 HA PHE A 5 -21.793 -1.702 -2.399 1.00 72.31 H new ATOM 0 HB2 PHE A 5 -23.029 0.308 -0.492 1.00 5.03 H new ATOM 0 HB3 PHE A 5 -23.526 -0.088 -2.125 1.00 5.03 H new ATOM 0 HD1 PHE A 5 -24.169 -2.760 -2.298 1.00 14.44 H new ATOM 0 HD2 PHE A 5 -24.528 -0.317 1.132 1.00 52.11 H new ATOM 0 HE1 PHE A 5 -25.931 -4.286 -1.395 1.00 62.34 H new ATOM 0 HE2 PHE A 5 -26.289 -1.843 2.035 1.00 3.32 H new ATOM 0 HZ PHE A 5 -26.967 -3.810 0.762 1.00 71.42 H new ATOM 64 N GLY A 6 -19.860 -0.240 -0.417 1.00 41.14 N ATOM 65 CA GLY A 6 -18.760 0.699 -0.277 1.00 10.30 C ATOM 66 C GLY A 6 -17.624 0.360 -1.243 1.00 54.20 C ATOM 67 O GLY A 6 -16.491 0.132 -0.820 1.00 24.24 O ATOM 0 H GLY A 6 -19.902 -0.958 0.306 1.00 41.14 H new ATOM 0 HA2 GLY A 6 -19.115 1.712 -0.468 1.00 10.30 H new ATOM 0 HA3 GLY A 6 -18.389 0.680 0.748 1.00 10.30 H new ATOM 71 N LEU A 7 -17.964 0.337 -2.523 1.00 24.43 N ATOM 72 CA LEU A 7 -16.987 0.029 -3.553 1.00 11.42 C ATOM 73 C LEU A 7 -15.893 1.099 -3.546 1.00 12.31 C ATOM 74 O LEU A 7 -14.739 0.813 -3.861 1.00 51.51 O ATOM 75 CB LEU A 7 -17.673 -0.139 -4.909 1.00 72.52 C ATOM 76 CG LEU A 7 -17.788 -1.575 -5.429 1.00 1.43 C ATOM 77 CD1 LEU A 7 -18.558 -2.455 -4.444 1.00 45.21 C ATOM 78 CD2 LEU A 7 -18.406 -1.603 -6.827 1.00 34.43 C ATOM 0 H LEU A 7 -18.904 0.527 -2.871 1.00 24.43 H new ATOM 0 HA LEU A 7 -16.503 -0.926 -3.347 1.00 11.42 H new ATOM 0 HB2 LEU A 7 -18.676 0.284 -4.842 1.00 72.52 H new ATOM 0 HB3 LEU A 7 -17.127 0.451 -5.646 1.00 72.52 H new ATOM 0 HG LEU A 7 -16.783 -1.990 -5.513 1.00 1.43 H new ATOM 0 HD11 LEU A 7 -18.625 -3.469 -4.838 1.00 45.21 H new ATOM 0 HD12 LEU A 7 -18.037 -2.471 -3.487 1.00 45.21 H new ATOM 0 HD13 LEU A 7 -19.561 -2.053 -4.304 1.00 45.21 H new ATOM 0 HD21 LEU A 7 -18.476 -2.634 -7.173 1.00 34.43 H new ATOM 0 HD22 LEU A 7 -19.403 -1.163 -6.793 1.00 34.43 H new ATOM 0 HD23 LEU A 7 -17.780 -1.032 -7.513 1.00 34.43 H new ATOM 90 N LEU A 8 -16.294 2.309 -3.184 1.00 33.40 N ATOM 91 CA LEU A 8 -15.362 3.422 -3.133 1.00 4.12 C ATOM 92 C LEU A 8 -14.311 3.152 -2.055 1.00 41.43 C ATOM 93 O LEU A 8 -13.254 3.782 -2.041 1.00 32.32 O ATOM 94 CB LEU A 8 -16.113 4.741 -2.942 1.00 15.11 C ATOM 95 CG LEU A 8 -15.886 5.804 -4.021 1.00 44.01 C ATOM 96 CD1 LEU A 8 -14.393 6.043 -4.248 1.00 2.35 C ATOM 97 CD2 LEU A 8 -16.611 5.434 -5.316 1.00 64.04 C ATOM 0 H LEU A 8 -17.252 2.543 -2.923 1.00 33.40 H new ATOM 0 HA LEU A 8 -14.831 3.518 -4.080 1.00 4.12 H new ATOM 0 HB2 LEU A 8 -17.180 4.525 -2.892 1.00 15.11 H new ATOM 0 HB3 LEU A 8 -15.827 5.163 -1.978 1.00 15.11 H new ATOM 0 HG LEU A 8 -16.313 6.744 -3.671 1.00 44.01 H new ATOM 0 HD11 LEU A 8 -14.259 6.802 -5.019 1.00 2.35 H new ATOM 0 HD12 LEU A 8 -13.934 6.383 -3.320 1.00 2.35 H new ATOM 0 HD13 LEU A 8 -13.920 5.114 -4.567 1.00 2.35 H new ATOM 0 HD21 LEU A 8 -16.433 6.205 -6.066 1.00 64.04 H new ATOM 0 HD22 LEU A 8 -16.236 4.478 -5.683 1.00 64.04 H new ATOM 0 HD23 LEU A 8 -17.681 5.354 -5.124 1.00 64.04 H new ATOM 109 N GLY A 9 -14.636 2.215 -1.177 1.00 61.22 N ATOM 110 CA GLY A 9 -13.733 1.853 -0.098 1.00 61.40 C ATOM 111 C GLY A 9 -12.828 0.690 -0.507 1.00 51.05 C ATOM 112 O GLY A 9 -11.828 0.415 0.154 1.00 53.23 O ATOM 0 H GLY A 9 -15.513 1.695 -1.191 1.00 61.22 H new ATOM 0 HA2 GLY A 9 -13.123 2.714 0.175 1.00 61.40 H new ATOM 0 HA3 GLY A 9 -14.309 1.577 0.786 1.00 61.40 H new ATOM 116 N PHE A 10 -13.212 0.037 -1.594 1.00 11.22 N ATOM 117 CA PHE A 10 -12.447 -1.091 -2.099 1.00 62.13 C ATOM 118 C PHE A 10 -11.002 -0.685 -2.396 1.00 34.15 C ATOM 119 O PHE A 10 -10.081 -1.481 -2.222 1.00 24.11 O ATOM 120 CB PHE A 10 -13.117 -1.539 -3.400 1.00 44.31 C ATOM 121 CG PHE A 10 -12.870 -3.007 -3.752 1.00 33.21 C ATOM 122 CD1 PHE A 10 -13.728 -3.966 -3.310 1.00 14.22 C ATOM 123 CD2 PHE A 10 -11.794 -3.353 -4.508 1.00 55.31 C ATOM 124 CE1 PHE A 10 -13.498 -5.328 -3.638 1.00 21.41 C ATOM 125 CE2 PHE A 10 -11.565 -4.716 -4.836 1.00 61.42 C ATOM 126 CZ PHE A 10 -12.423 -5.675 -4.394 1.00 40.11 C ATOM 0 H PHE A 10 -14.043 0.267 -2.139 1.00 11.22 H new ATOM 0 HA PHE A 10 -12.426 -1.889 -1.357 1.00 62.13 H new ATOM 0 HB2 PHE A 10 -14.191 -1.371 -3.321 1.00 44.31 H new ATOM 0 HB3 PHE A 10 -12.756 -0.914 -4.217 1.00 44.31 H new ATOM 0 HD1 PHE A 10 -14.583 -3.691 -2.710 1.00 14.22 H new ATOM 0 HD2 PHE A 10 -11.113 -2.591 -4.859 1.00 55.31 H new ATOM 0 HE1 PHE A 10 -14.178 -6.090 -3.286 1.00 21.41 H new ATOM 0 HE2 PHE A 10 -10.710 -4.991 -5.436 1.00 61.42 H new ATOM 0 HZ PHE A 10 -12.250 -6.711 -4.644 1.00 40.11 H new ATOM 136 N LEU A 11 -10.850 0.555 -2.840 1.00 54.25 N ATOM 137 CA LEU A 11 -9.532 1.076 -3.164 1.00 33.32 C ATOM 138 C LEU A 11 -8.775 1.377 -1.869 1.00 44.01 C ATOM 139 O LEU A 11 -7.604 1.026 -1.734 1.00 20.32 O ATOM 140 CB LEU A 11 -9.648 2.279 -4.102 1.00 21.12 C ATOM 141 CG LEU A 11 -9.971 1.961 -5.564 1.00 52.41 C ATOM 142 CD1 LEU A 11 -8.769 1.324 -6.264 1.00 31.21 C ATOM 143 CD2 LEU A 11 -11.225 1.092 -5.673 1.00 44.51 C ATOM 0 H LEU A 11 -11.616 1.213 -2.983 1.00 54.25 H new ATOM 0 HA LEU A 11 -8.951 0.331 -3.708 1.00 33.32 H new ATOM 0 HB2 LEU A 11 -10.422 2.943 -3.716 1.00 21.12 H new ATOM 0 HB3 LEU A 11 -8.709 2.832 -4.070 1.00 21.12 H new ATOM 0 HG LEU A 11 -10.184 2.898 -6.078 1.00 52.41 H new ATOM 0 HD11 LEU A 11 -9.025 1.108 -7.301 1.00 31.21 H new ATOM 0 HD12 LEU A 11 -7.924 2.012 -6.234 1.00 31.21 H new ATOM 0 HD13 LEU A 11 -8.501 0.398 -5.756 1.00 31.21 H new ATOM 0 HD21 LEU A 11 -11.432 0.881 -6.722 1.00 44.51 H new ATOM 0 HD22 LEU A 11 -11.066 0.155 -5.139 1.00 44.51 H new ATOM 0 HD23 LEU A 11 -12.072 1.620 -5.235 1.00 44.51 H new ATOM 155 N ALA A 12 -9.476 2.024 -0.948 1.00 53.04 N ATOM 156 CA ALA A 12 -8.885 2.376 0.331 1.00 45.31 C ATOM 157 C ALA A 12 -8.212 1.141 0.934 1.00 62.14 C ATOM 158 O ALA A 12 -7.256 1.262 1.700 1.00 34.54 O ATOM 159 CB ALA A 12 -9.961 2.959 1.248 1.00 24.14 C ATOM 0 H ALA A 12 -10.447 2.313 -1.063 1.00 53.04 H new ATOM 0 HA ALA A 12 -8.118 3.140 0.202 1.00 45.31 H new ATOM 0 HB1 ALA A 12 -9.517 3.223 2.208 1.00 24.14 H new ATOM 0 HB2 ALA A 12 -10.387 3.850 0.788 1.00 24.14 H new ATOM 0 HB3 ALA A 12 -10.747 2.220 1.403 1.00 24.14 H new ATOM 165 N ALA A 13 -8.737 -0.019 0.566 1.00 50.41 N ATOM 166 CA ALA A 13 -8.200 -1.274 1.061 1.00 41.53 C ATOM 167 C ALA A 13 -6.748 -1.421 0.598 1.00 33.32 C ATOM 168 O ALA A 13 -5.883 -1.825 1.373 1.00 40.32 O ATOM 169 CB ALA A 13 -9.082 -2.430 0.588 1.00 32.42 C ATOM 0 H ALA A 13 -9.529 -0.115 -0.069 1.00 50.41 H new ATOM 0 HA ALA A 13 -8.202 -1.288 2.151 1.00 41.53 H new ATOM 0 HB1 ALA A 13 -8.678 -3.372 0.960 1.00 32.42 H new ATOM 0 HB2 ALA A 13 -10.095 -2.294 0.968 1.00 32.42 H new ATOM 0 HB3 ALA A 13 -9.103 -2.449 -0.502 1.00 32.42 H new ATOM 175 N GLY A 14 -6.528 -1.085 -0.665 1.00 2.21 N ATOM 176 CA GLY A 14 -5.196 -1.175 -1.241 1.00 23.03 C ATOM 177 C GLY A 14 -4.155 -0.545 -0.314 1.00 14.14 C ATOM 178 O GLY A 14 -3.037 -1.044 -0.202 1.00 53.52 O ATOM 0 H GLY A 14 -7.248 -0.750 -1.305 1.00 2.21 H new ATOM 0 HA2 GLY A 14 -4.943 -2.220 -1.421 1.00 23.03 H new ATOM 0 HA3 GLY A 14 -5.179 -0.672 -2.208 1.00 23.03 H new ATOM 182 N SER A 15 -4.559 0.542 0.326 1.00 21.35 N ATOM 183 CA SER A 15 -3.674 1.246 1.239 1.00 45.20 C ATOM 184 C SER A 15 -3.474 0.422 2.513 1.00 23.33 C ATOM 185 O SER A 15 -2.400 0.447 3.110 1.00 43.24 O ATOM 186 CB SER A 15 -4.226 2.630 1.584 1.00 15.54 C ATOM 187 OG SER A 15 -4.200 3.510 0.463 1.00 35.41 O ATOM 0 H SER A 15 -5.488 0.953 0.231 1.00 21.35 H new ATOM 0 HA SER A 15 -2.711 1.381 0.746 1.00 45.20 H new ATOM 0 HB2 SER A 15 -5.250 2.532 1.944 1.00 15.54 H new ATOM 0 HB3 SER A 15 -3.642 3.061 2.397 1.00 15.54 H new ATOM 0 HG SER A 15 -4.562 4.383 0.724 1.00 35.41 H new ATOM 193 N LYS A 16 -4.528 -0.288 2.891 1.00 3.15 N ATOM 194 CA LYS A 16 -4.482 -1.117 4.084 1.00 13.55 C ATOM 195 C LYS A 16 -3.412 -2.196 3.907 1.00 4.02 C ATOM 196 O LYS A 16 -2.969 -2.801 4.883 1.00 51.13 O ATOM 197 CB LYS A 16 -5.871 -1.674 4.403 1.00 2.42 C ATOM 198 CG LYS A 16 -6.814 -0.562 4.864 1.00 22.15 C ATOM 199 CD LYS A 16 -6.509 -0.146 6.305 1.00 22.14 C ATOM 200 CE LYS A 16 -7.347 -0.953 7.298 1.00 44.43 C ATOM 201 NZ LYS A 16 -7.852 -0.079 8.380 1.00 0.53 N ATOM 0 H LYS A 16 -5.418 -0.306 2.393 1.00 3.15 H new ATOM 0 HA LYS A 16 -4.196 -0.522 4.952 1.00 13.55 H new ATOM 0 HB2 LYS A 16 -6.283 -2.162 3.520 1.00 2.42 H new ATOM 0 HB3 LYS A 16 -5.792 -2.434 5.180 1.00 2.42 H new ATOM 0 HG2 LYS A 16 -6.715 0.300 4.204 1.00 22.15 H new ATOM 0 HG3 LYS A 16 -7.847 -0.903 4.791 1.00 22.15 H new ATOM 0 HD2 LYS A 16 -5.449 -0.294 6.513 1.00 22.14 H new ATOM 0 HD3 LYS A 16 -6.713 0.917 6.431 1.00 22.14 H new ATOM 0 HE2 LYS A 16 -8.184 -1.421 6.780 1.00 44.43 H new ATOM 0 HE3 LYS A 16 -6.745 -1.756 7.722 1.00 44.43 H new ATOM 0 HZ1 LYS A 16 -8.419 -0.643 9.045 1.00 0.53 H new ATOM 0 HZ2 LYS A 16 -7.049 0.348 8.885 1.00 0.53 H new ATOM 0 HZ3 LYS A 16 -8.444 0.673 7.972 1.00 0.53 H new ATOM 214 N LYS A 17 -3.028 -2.405 2.657 1.00 51.00 N ATOM 215 CA LYS A 17 -2.019 -3.401 2.340 1.00 41.35 C ATOM 216 C LYS A 17 -0.671 -2.708 2.132 1.00 1.02 C ATOM 217 O LYS A 17 0.277 -2.949 2.877 1.00 2.32 O ATOM 218 CB LYS A 17 -2.462 -4.255 1.150 1.00 11.35 C ATOM 219 CG LYS A 17 -3.386 -5.387 1.602 1.00 74.02 C ATOM 220 CD LYS A 17 -4.179 -5.951 0.421 1.00 74.12 C ATOM 221 CE LYS A 17 -4.838 -7.281 0.788 1.00 61.51 C ATOM 222 NZ LYS A 17 -5.824 -7.674 -0.243 1.00 75.32 N ATOM 0 H LYS A 17 -3.398 -1.901 1.851 1.00 51.00 H new ATOM 0 HA LYS A 17 -1.896 -4.095 3.171 1.00 41.35 H new ATOM 0 HB2 LYS A 17 -2.977 -3.630 0.421 1.00 11.35 H new ATOM 0 HB3 LYS A 17 -1.587 -4.672 0.651 1.00 11.35 H new ATOM 0 HG2 LYS A 17 -2.797 -6.181 2.062 1.00 74.02 H new ATOM 0 HG3 LYS A 17 -4.073 -5.018 2.363 1.00 74.02 H new ATOM 0 HD2 LYS A 17 -4.942 -5.235 0.116 1.00 74.12 H new ATOM 0 HD3 LYS A 17 -3.516 -6.093 -0.432 1.00 74.12 H new ATOM 0 HE2 LYS A 17 -4.077 -8.056 0.886 1.00 61.51 H new ATOM 0 HE3 LYS A 17 -5.331 -7.194 1.756 1.00 61.51 H new ATOM 0 HZ1 LYS A 17 -6.262 -8.579 0.022 1.00 75.32 H new ATOM 0 HZ2 LYS A 17 -6.559 -6.942 -0.317 1.00 75.32 H new ATOM 0 HZ3 LYS A 17 -5.345 -7.777 -1.160 1.00 75.32 H new HETATM 235 C1 ACA A 18 3.378 0.947 -3.978 1.00 33.40 C HETATM 236 O1 ACA A 18 4.218 0.609 -3.146 1.00 24.20 O HETATM 237 C2 ACA A 18 2.314 -0.058 -3.759 1.00 64.24 C HETATM 238 C3 ACA A 18 1.344 0.415 -2.675 1.00 43.54 C HETATM 239 C4 ACA A 18 1.615 -0.297 -1.347 1.00 74.42 C HETATM 240 C5 ACA A 18 0.381 -0.260 -0.443 1.00 53.21 C HETATM 241 C6 ACA A 18 0.586 -1.129 0.799 1.00 31.04 C HETATM 242 N6 ACA A 18 -0.629 -1.859 1.115 1.00 22.43 N HETATM 0 HN61 ACA A 18 -1.458 -1.746 0.532 1.00 22.43 H new HETATM 0 H62 ACA A 18 1.404 -1.829 0.629 1.00 31.04 H new HETATM 0 H61 ACA A 18 0.872 -0.503 1.645 1.00 31.04 H new HETATM 0 H52 ACA A 18 0.176 0.768 -0.143 1.00 53.21 H new HETATM 0 H51 ACA A 18 -0.490 -0.610 -0.996 1.00 53.21 H new HETATM 0 H42 ACA A 18 1.900 -1.332 -1.537 1.00 74.42 H new HETATM 0 H41 ACA A 18 2.455 0.178 -0.841 1.00 74.42 H new HETATM 0 H32 ACA A 18 1.441 1.492 -2.540 1.00 43.54 H new HETATM 0 H31 ACA A 18 0.319 0.224 -2.991 1.00 43.54 H new HETATM 0 H22 ACA A 18 1.773 -0.231 -4.689 1.00 64.24 H new HETATM 0 H21 ACA A 18 2.759 -1.009 -3.467 1.00 64.24 H new ATOM 254 N LYS A 19 3.629 1.131 -5.266 1.00 23.32 N ATOM 255 CA LYS A 19 4.965 0.938 -5.803 1.00 63.21 C ATOM 256 C LYS A 19 5.672 2.292 -5.900 1.00 63.44 C ATOM 257 O LYS A 19 6.529 2.609 -5.076 1.00 63.32 O ATOM 258 CB LYS A 19 4.905 0.180 -7.130 1.00 31.25 C ATOM 259 CG LYS A 19 6.302 0.012 -7.730 1.00 44.12 C ATOM 260 CD LYS A 19 6.245 -0.002 -9.258 1.00 34.20 C ATOM 261 CE LYS A 19 5.533 -1.256 -9.769 1.00 34.31 C ATOM 262 NZ LYS A 19 4.617 -0.916 -10.882 1.00 51.25 N ATOM 0 HA LYS A 19 5.558 0.315 -5.133 1.00 63.21 H new ATOM 0 HB2 LYS A 19 4.453 -0.799 -6.973 1.00 31.25 H new ATOM 0 HB3 LYS A 19 4.267 0.717 -7.831 1.00 31.25 H new ATOM 0 HG2 LYS A 19 6.946 0.825 -7.394 1.00 44.12 H new ATOM 0 HG3 LYS A 19 6.747 -0.916 -7.371 1.00 44.12 H new ATOM 0 HD2 LYS A 19 5.724 0.887 -9.614 1.00 34.20 H new ATOM 0 HD3 LYS A 19 7.256 0.037 -9.664 1.00 34.20 H new ATOM 0 HE2 LYS A 19 6.268 -1.987 -10.106 1.00 34.31 H new ATOM 0 HE3 LYS A 19 4.972 -1.719 -8.957 1.00 34.31 H new ATOM 0 HZ1 LYS A 19 4.142 -1.779 -11.217 1.00 51.25 H new ATOM 0 HZ2 LYS A 19 3.904 -0.235 -10.550 1.00 51.25 H new ATOM 0 HZ3 LYS A 19 5.160 -0.495 -11.662 1.00 51.25 H new ATOM 275 N ASN A 20 5.285 3.054 -6.912 1.00 12.21 N ATOM 276 CA ASN A 20 5.872 4.367 -7.127 1.00 60.22 C ATOM 277 C ASN A 20 5.597 5.248 -5.907 1.00 32.45 C ATOM 278 O ASN A 20 4.444 5.444 -5.526 1.00 4.53 O ATOM 279 CB ASN A 20 5.259 5.049 -8.351 1.00 52.30 C ATOM 280 CG ASN A 20 6.251 6.025 -8.988 1.00 54.32 C ATOM 281 OD1 ASN A 20 6.287 7.205 -8.679 1.00 64.13 O ATOM 282 ND2 ASN A 20 7.052 5.469 -9.892 1.00 14.11 N ATOM 0 H ASN A 20 4.573 2.788 -7.592 1.00 12.21 H new ATOM 0 HA ASN A 20 6.943 4.238 -7.285 1.00 60.22 H new ATOM 0 HB2 ASN A 20 4.964 4.296 -9.082 1.00 52.30 H new ATOM 0 HB3 ASN A 20 4.354 5.583 -8.060 1.00 52.30 H new ATOM 0 HD21 ASN A 20 7.749 6.037 -10.374 1.00 14.11 H new ATOM 0 HD22 ASN A 20 6.969 4.475 -10.104 1.00 14.11 H new ATOM 289 N GLU A 21 6.676 5.756 -5.330 1.00 24.22 N ATOM 290 CA GLU A 21 6.565 6.613 -4.160 1.00 33.41 C ATOM 291 C GLU A 21 5.549 7.727 -4.414 1.00 22.33 C ATOM 292 O GLU A 21 4.778 8.084 -3.523 1.00 10.21 O ATOM 293 CB GLU A 21 7.928 7.191 -3.774 1.00 13.13 C ATOM 294 CG GLU A 21 8.552 7.954 -4.945 1.00 72.11 C ATOM 295 CD GLU A 21 9.916 8.529 -4.560 1.00 70.24 C ATOM 296 OE1 GLU A 21 10.845 7.767 -4.249 1.00 10.35 O ATOM 297 OE2 GLU A 21 9.994 9.816 -4.592 1.00 1.23 O ATOM 0 H GLU A 21 7.631 5.591 -5.650 1.00 24.22 H new ATOM 0 HA GLU A 21 6.212 6.010 -3.323 1.00 33.41 H new ATOM 0 HB2 GLU A 21 7.815 7.858 -2.919 1.00 13.13 H new ATOM 0 HB3 GLU A 21 8.594 6.386 -3.464 1.00 13.13 H new ATOM 0 HG2 GLU A 21 8.663 7.287 -5.800 1.00 72.11 H new ATOM 0 HG3 GLU A 21 7.887 8.761 -5.254 1.00 72.11 H new ATOM 305 N GLN A 22 5.578 8.248 -5.632 1.00 75.34 N ATOM 306 CA GLN A 22 4.668 9.314 -6.014 1.00 51.21 C ATOM 307 C GLN A 22 3.240 8.971 -5.588 1.00 71.32 C ATOM 308 O GLN A 22 2.496 9.841 -5.137 1.00 51.15 O ATOM 309 CB GLN A 22 4.742 9.586 -7.517 1.00 14.44 C ATOM 310 CG GLN A 22 4.329 11.024 -7.836 1.00 5.42 C ATOM 311 CD GLN A 22 2.825 11.116 -8.106 1.00 75.23 C ATOM 312 OE1 GLN A 22 2.005 11.109 -7.205 1.00 4.25 O ATOM 313 NE2 GLN A 22 2.513 11.199 -9.396 1.00 11.12 N ATOM 0 H GLN A 22 6.219 7.951 -6.368 1.00 75.34 H new ATOM 0 HA GLN A 22 4.971 10.225 -5.498 1.00 51.21 H new ATOM 0 HB2 GLN A 22 5.757 9.408 -7.873 1.00 14.44 H new ATOM 0 HB3 GLN A 22 4.092 8.891 -8.048 1.00 14.44 H new ATOM 0 HG2 GLN A 22 4.593 11.675 -7.003 1.00 5.42 H new ATOM 0 HG3 GLN A 22 4.881 11.380 -8.706 1.00 5.42 H new ATOM 0 HE21 GLN A 22 3.251 11.200 -10.100 1.00 11.12 H new ATOM 0 HE22 GLN A 22 1.536 11.262 -9.681 1.00 11.12 H new ATOM 322 N GLU A 23 2.898 7.700 -5.748 1.00 23.34 N ATOM 323 CA GLU A 23 1.571 7.230 -5.386 1.00 4.45 C ATOM 324 C GLU A 23 1.226 7.663 -3.959 1.00 11.15 C ATOM 325 O GLU A 23 0.105 8.093 -3.691 1.00 14.52 O ATOM 326 CB GLU A 23 1.466 5.713 -5.539 1.00 64.54 C ATOM 327 CG GLU A 23 0.005 5.274 -5.661 1.00 64.05 C ATOM 328 CD GLU A 23 -0.218 3.919 -4.985 1.00 70.31 C ATOM 329 OE1 GLU A 23 0.121 3.752 -3.805 1.00 23.21 O ATOM 330 OE2 GLU A 23 -0.767 3.022 -5.733 1.00 64.04 O ATOM 0 H GLU A 23 3.517 6.982 -6.123 1.00 23.34 H new ATOM 0 HA GLU A 23 0.849 7.681 -6.067 1.00 4.45 H new ATOM 0 HB2 GLU A 23 2.020 5.394 -6.422 1.00 64.54 H new ATOM 0 HB3 GLU A 23 1.926 5.225 -4.680 1.00 64.54 H new ATOM 0 HG2 GLU A 23 -0.643 6.023 -5.205 1.00 64.05 H new ATOM 0 HG3 GLU A 23 -0.273 5.210 -6.713 1.00 64.05 H new ATOM 338 N LEU A 24 2.210 7.535 -3.081 1.00 13.13 N ATOM 339 CA LEU A 24 2.024 7.908 -1.689 1.00 50.05 C ATOM 340 C LEU A 24 1.825 9.421 -1.593 1.00 55.40 C ATOM 341 O LEU A 24 0.971 9.893 -0.844 1.00 41.03 O ATOM 342 CB LEU A 24 3.181 7.384 -0.835 1.00 74.21 C ATOM 343 CG LEU A 24 3.049 5.942 -0.339 1.00 10.42 C ATOM 344 CD1 LEU A 24 1.812 5.778 0.544 1.00 65.24 C ATOM 345 CD2 LEU A 24 3.054 4.957 -1.510 1.00 30.04 C ATOM 0 H LEU A 24 3.139 7.178 -3.307 1.00 13.13 H new ATOM 0 HA LEU A 24 1.124 7.442 -1.287 1.00 50.05 H new ATOM 0 HB2 LEU A 24 4.100 7.465 -1.415 1.00 74.21 H new ATOM 0 HB3 LEU A 24 3.292 8.037 0.031 1.00 74.21 H new ATOM 0 HG LEU A 24 3.917 5.711 0.278 1.00 10.42 H new ATOM 0 HD11 LEU A 24 1.741 4.745 0.883 1.00 65.24 H new ATOM 0 HD12 LEU A 24 1.891 6.439 1.407 1.00 65.24 H new ATOM 0 HD13 LEU A 24 0.920 6.034 -0.028 1.00 65.24 H new ATOM 0 HD21 LEU A 24 2.959 3.940 -1.130 1.00 30.04 H new ATOM 0 HD22 LEU A 24 2.217 5.176 -2.173 1.00 30.04 H new ATOM 0 HD23 LEU A 24 3.989 5.052 -2.062 1.00 30.04 H new ATOM 357 N LEU A 25 2.628 10.142 -2.363 1.00 43.24 N ATOM 358 CA LEU A 25 2.551 11.593 -2.374 1.00 64.53 C ATOM 359 C LEU A 25 1.578 12.039 -3.468 1.00 42.33 C ATOM 360 O LEU A 25 1.613 13.189 -3.902 1.00 13.54 O ATOM 361 CB LEU A 25 3.947 12.203 -2.506 1.00 24.11 C ATOM 362 CG LEU A 25 5.036 11.582 -1.628 1.00 53.11 C ATOM 363 CD1 LEU A 25 4.448 11.048 -0.321 1.00 71.12 C ATOM 364 CD2 LEU A 25 5.808 10.505 -2.392 1.00 73.41 C ATOM 0 H LEU A 25 3.335 9.748 -2.984 1.00 43.24 H new ATOM 0 HA LEU A 25 2.157 11.961 -1.427 1.00 64.53 H new ATOM 0 HB2 LEU A 25 4.259 12.125 -3.547 1.00 24.11 H new ATOM 0 HB3 LEU A 25 3.881 13.266 -2.272 1.00 24.11 H new ATOM 0 HG LEU A 25 5.749 12.363 -1.364 1.00 53.11 H new ATOM 0 HD11 LEU A 25 5.243 10.612 0.284 1.00 71.12 H new ATOM 0 HD12 LEU A 25 3.980 11.865 0.228 1.00 71.12 H new ATOM 0 HD13 LEU A 25 3.701 10.286 -0.543 1.00 71.12 H new ATOM 0 HD21 LEU A 25 6.576 10.080 -1.745 1.00 73.41 H new ATOM 0 HD22 LEU A 25 5.121 9.719 -2.706 1.00 73.41 H new ATOM 0 HD23 LEU A 25 6.278 10.948 -3.270 1.00 73.41 H new ATOM 376 N GLU A 26 0.734 11.106 -3.881 1.00 34.43 N ATOM 377 CA GLU A 26 -0.246 11.389 -4.917 1.00 43.33 C ATOM 378 C GLU A 26 -1.320 12.339 -4.385 1.00 4.45 C ATOM 379 O GLU A 26 -1.752 13.251 -5.089 1.00 62.20 O ATOM 380 CB GLU A 26 -0.870 10.097 -5.448 1.00 24.51 C ATOM 381 CG GLU A 26 -1.898 10.394 -6.541 1.00 12.25 C ATOM 382 CD GLU A 26 -2.543 9.106 -7.053 1.00 70.53 C ATOM 383 OE1 GLU A 26 -3.184 9.111 -8.114 1.00 13.02 O ATOM 384 OE2 GLU A 26 -2.358 8.070 -6.307 1.00 65.30 O ATOM 0 H GLU A 26 0.708 10.153 -3.518 1.00 34.43 H new ATOM 0 HA GLU A 26 0.262 11.876 -5.749 1.00 43.33 H new ATOM 0 HB2 GLU A 26 -0.089 9.448 -5.845 1.00 24.51 H new ATOM 0 HB3 GLU A 26 -1.348 9.557 -4.631 1.00 24.51 H new ATOM 0 HG2 GLU A 26 -2.668 11.059 -6.150 1.00 12.25 H new ATOM 0 HG3 GLU A 26 -1.415 10.916 -7.367 1.00 12.25 H new ATOM 392 N LEU A 27 -1.721 12.094 -3.146 1.00 3.44 N ATOM 393 CA LEU A 27 -2.737 12.917 -2.512 1.00 4.22 C ATOM 394 C LEU A 27 -2.117 14.252 -2.093 1.00 4.32 C ATOM 395 O LEU A 27 -2.810 15.265 -2.016 1.00 24.21 O ATOM 396 CB LEU A 27 -3.399 12.159 -1.360 1.00 41.15 C ATOM 397 CG LEU A 27 -4.238 10.941 -1.753 1.00 31.12 C ATOM 398 CD1 LEU A 27 -5.733 11.241 -1.622 1.00 21.33 C ATOM 399 CD2 LEU A 27 -3.873 10.454 -3.156 1.00 53.15 C ATOM 0 H LEU A 27 -1.361 11.337 -2.564 1.00 3.44 H new ATOM 0 HA LEU A 27 -3.538 13.143 -3.216 1.00 4.22 H new ATOM 0 HB2 LEU A 27 -2.620 11.832 -0.671 1.00 41.15 H new ATOM 0 HB3 LEU A 27 -4.037 12.854 -0.813 1.00 41.15 H new ATOM 0 HG LEU A 27 -4.009 10.130 -1.061 1.00 31.12 H new ATOM 0 HD11 LEU A 27 -6.307 10.360 -1.907 1.00 21.33 H new ATOM 0 HD12 LEU A 27 -5.962 11.505 -0.590 1.00 21.33 H new ATOM 0 HD13 LEU A 27 -5.996 12.072 -2.276 1.00 21.33 H new ATOM 0 HD21 LEU A 27 -4.484 9.588 -3.411 1.00 53.15 H new ATOM 0 HD22 LEU A 27 -4.055 11.251 -3.877 1.00 53.15 H new ATOM 0 HD23 LEU A 27 -2.819 10.176 -3.182 1.00 53.15 H new ATOM 411 N ASP A 28 -0.818 14.210 -1.833 1.00 34.34 N ATOM 412 CA ASP A 28 -0.098 15.404 -1.424 1.00 21.50 C ATOM 413 C ASP A 28 -0.152 16.438 -2.551 1.00 70.32 C ATOM 414 O ASP A 28 0.048 17.628 -2.315 1.00 15.35 O ATOM 415 CB ASP A 28 1.372 15.090 -1.141 1.00 40.13 C ATOM 416 CG ASP A 28 2.097 16.118 -0.271 1.00 13.55 C ATOM 417 OD1 ASP A 28 2.220 15.949 0.951 1.00 31.42 O ATOM 418 OD2 ASP A 28 2.554 17.144 -0.907 1.00 14.23 O ATOM 0 H ASP A 28 -0.246 13.368 -1.898 1.00 34.34 H new ATOM 0 HA ASP A 28 -0.566 15.787 -0.517 1.00 21.50 H new ATOM 0 HB2 ASP A 28 1.433 14.117 -0.654 1.00 40.13 H new ATOM 0 HB3 ASP A 28 1.899 15.004 -2.091 1.00 40.13 H new ATOM 424 N LYS A 29 -0.424 15.945 -3.750 1.00 11.21 N ATOM 425 CA LYS A 29 -0.507 16.812 -4.914 1.00 51.42 C ATOM 426 C LYS A 29 -1.857 17.530 -4.915 1.00 44.12 C ATOM 427 O LYS A 29 -2.139 18.329 -5.805 1.00 14.24 O ATOM 428 CB LYS A 29 -0.231 16.019 -6.193 1.00 74.43 C ATOM 429 CG LYS A 29 1.255 16.056 -6.553 1.00 3.42 C ATOM 430 CD LYS A 29 2.126 15.955 -5.299 1.00 5.22 C ATOM 431 CE LYS A 29 3.525 15.439 -5.643 1.00 24.24 C ATOM 432 NZ LYS A 29 4.267 15.094 -4.409 1.00 70.32 N ATOM 0 H LYS A 29 -0.590 14.957 -3.941 1.00 11.21 H new ATOM 0 HA LYS A 29 0.263 17.582 -4.871 1.00 51.42 H new ATOM 0 HB2 LYS A 29 -0.551 14.985 -6.060 1.00 74.43 H new ATOM 0 HB3 LYS A 29 -0.818 16.431 -7.014 1.00 74.43 H new ATOM 0 HG2 LYS A 29 1.489 15.234 -7.230 1.00 3.42 H new ATOM 0 HG3 LYS A 29 1.481 16.981 -7.084 1.00 3.42 H new ATOM 0 HD2 LYS A 29 2.202 16.934 -4.825 1.00 5.22 H new ATOM 0 HD3 LYS A 29 1.655 15.287 -4.578 1.00 5.22 H new ATOM 0 HE2 LYS A 29 3.448 14.562 -6.286 1.00 24.24 H new ATOM 0 HE3 LYS A 29 4.072 16.198 -6.203 1.00 24.24 H new ATOM 0 HZ1 LYS A 29 5.130 15.672 -4.350 1.00 70.32 H new ATOM 0 HZ2 LYS A 29 3.668 15.281 -3.580 1.00 70.32 H new ATOM 0 HZ3 LYS A 29 4.526 14.087 -4.430 1.00 70.32 H new ATOM 445 N TRP A 30 -2.657 17.219 -3.904 1.00 14.40 N ATOM 446 CA TRP A 30 -3.971 17.826 -3.777 1.00 53.20 C ATOM 447 C TRP A 30 -3.843 19.310 -4.126 1.00 5.13 C ATOM 448 O TRP A 30 -4.499 19.794 -5.046 1.00 24.52 O ATOM 449 CB TRP A 30 -4.552 17.588 -2.382 1.00 71.53 C ATOM 450 CG TRP A 30 -5.364 16.296 -2.258 1.00 15.10 C ATOM 451 CD1 TRP A 30 -5.251 15.337 -1.330 1.00 45.21 C ATOM 452 CD2 TRP A 30 -6.424 15.859 -3.136 1.00 44.42 C ATOM 453 NE1 TRP A 30 -6.157 14.318 -1.542 1.00 71.42 N ATOM 454 CE2 TRP A 30 -6.893 14.645 -2.675 1.00 13.35 C ATOM 455 CE3 TRP A 30 -6.968 16.470 -4.278 1.00 32.30 C ATOM 456 CZ2 TRP A 30 -7.928 13.939 -3.298 1.00 72.21 C ATOM 457 CZ3 TRP A 30 -8.001 15.750 -4.890 1.00 61.30 C ATOM 458 CH2 TRP A 30 -8.486 14.527 -4.440 1.00 1.54 C ATOM 0 H TRP A 30 -2.420 16.555 -3.167 1.00 14.40 H new ATOM 0 HA TRP A 30 -4.677 17.366 -4.469 1.00 53.20 H new ATOM 0 HB2 TRP A 30 -3.736 17.563 -1.659 1.00 71.53 H new ATOM 0 HB3 TRP A 30 -5.188 18.432 -2.116 1.00 71.53 H new ATOM 0 HD1 TRP A 30 -4.540 15.358 -0.517 1.00 45.21 H new ATOM 0 HE1 TRP A 30 -6.266 13.479 -0.972 1.00 71.42 H new ATOM 0 HE3 TRP A 30 -6.617 17.420 -4.654 1.00 32.30 H new ATOM 0 HZ2 TRP A 30 -8.278 12.991 -2.918 1.00 72.21 H new ATOM 0 HZ3 TRP A 30 -8.453 16.175 -5.774 1.00 61.30 H new ATOM 0 HH2 TRP A 30 -9.288 14.033 -4.968 1.00 1.54 H new ATOM 469 N ALA A 31 -2.993 19.991 -3.371 1.00 11.52 N ATOM 470 CA ALA A 31 -2.771 21.410 -3.588 1.00 55.34 C ATOM 471 C ALA A 31 -2.327 21.637 -5.035 1.00 51.55 C ATOM 472 O ALA A 31 -2.738 22.606 -5.670 1.00 34.30 O ATOM 473 CB ALA A 31 -1.747 21.927 -2.576 1.00 12.43 C ATOM 0 H ALA A 31 -2.450 19.586 -2.608 1.00 11.52 H new ATOM 0 HA ALA A 31 -3.693 21.971 -3.434 1.00 55.34 H new ATOM 0 HB1 ALA A 31 -1.580 22.992 -2.739 1.00 12.43 H new ATOM 0 HB2 ALA A 31 -2.123 21.769 -1.565 1.00 12.43 H new ATOM 0 HB3 ALA A 31 -0.807 21.389 -2.702 1.00 12.43 H new ATOM 479 N SER A 32 -1.492 20.725 -5.513 1.00 11.34 N ATOM 480 CA SER A 32 -0.986 20.814 -6.874 1.00 24.50 C ATOM 481 C SER A 32 -2.132 21.130 -7.837 1.00 24.12 C ATOM 482 O SER A 32 -1.909 21.688 -8.911 1.00 65.51 O ATOM 483 CB SER A 32 -0.288 19.517 -7.287 1.00 3.22 C ATOM 484 OG SER A 32 0.794 19.755 -8.182 1.00 12.45 O ATOM 0 H SER A 32 -1.153 19.922 -4.983 1.00 11.34 H new ATOM 0 HA SER A 32 -0.252 21.619 -6.915 1.00 24.50 H new ATOM 0 HB2 SER A 32 0.082 19.006 -6.398 1.00 3.22 H new ATOM 0 HB3 SER A 32 -1.010 18.851 -7.760 1.00 3.22 H new ATOM 0 HG SER A 32 1.215 18.903 -8.421 1.00 12.45 H new ATOM 490 N LEU A 33 -3.334 20.761 -7.419 1.00 42.32 N ATOM 491 CA LEU A 33 -4.515 20.999 -8.231 1.00 53.33 C ATOM 492 C LEU A 33 -4.847 22.492 -8.217 1.00 14.02 C ATOM 493 O LEU A 33 -4.843 23.143 -9.261 1.00 45.14 O ATOM 494 CB LEU A 33 -5.670 20.108 -7.771 1.00 73.52 C ATOM 495 CG LEU A 33 -6.481 19.433 -8.880 1.00 14.53 C ATOM 496 CD1 LEU A 33 -5.559 18.797 -9.923 1.00 41.03 C ATOM 497 CD2 LEU A 33 -7.471 18.423 -8.299 1.00 74.32 C ATOM 0 H LEU A 33 -3.515 20.299 -6.528 1.00 42.32 H new ATOM 0 HA LEU A 33 -4.325 20.725 -9.269 1.00 53.33 H new ATOM 0 HB2 LEU A 33 -5.267 19.332 -7.120 1.00 73.52 H new ATOM 0 HB3 LEU A 33 -6.349 20.710 -7.167 1.00 73.52 H new ATOM 0 HG LEU A 33 -7.065 20.199 -9.390 1.00 14.53 H new ATOM 0 HD11 LEU A 33 -6.160 18.324 -10.700 1.00 41.03 H new ATOM 0 HD12 LEU A 33 -4.929 19.567 -10.369 1.00 41.03 H new ATOM 0 HD13 LEU A 33 -4.930 18.047 -9.444 1.00 41.03 H new ATOM 0 HD21 LEU A 33 -8.034 17.958 -9.108 1.00 74.32 H new ATOM 0 HD22 LEU A 33 -6.927 17.656 -7.748 1.00 74.32 H new ATOM 0 HD23 LEU A 33 -8.159 18.934 -7.625 1.00 74.32 H new ATOM 509 N TRP A 34 -5.126 22.992 -7.022 1.00 62.51 N ATOM 510 CA TRP A 34 -5.460 24.397 -6.858 1.00 72.22 C ATOM 511 C TRP A 34 -4.334 25.060 -6.062 1.00 22.23 C ATOM 512 O TRP A 34 -3.723 26.020 -6.528 1.00 51.40 O ATOM 513 CB TRP A 34 -6.832 24.561 -6.203 1.00 25.03 C ATOM 514 CG TRP A 34 -6.893 24.075 -4.753 1.00 70.11 C ATOM 515 CD1 TRP A 34 -7.254 22.866 -4.303 1.00 0.20 C ATOM 516 CD2 TRP A 34 -6.565 24.842 -3.575 1.00 71.34 C ATOM 517 NE1 TRP A 34 -7.184 22.797 -2.926 1.00 61.31 N ATOM 518 CE2 TRP A 34 -6.751 24.037 -2.469 1.00 15.11 C ATOM 519 CE3 TRP A 34 -6.125 26.171 -3.447 1.00 73.32 C ATOM 520 CZ2 TRP A 34 -6.522 24.470 -1.159 1.00 1.52 C ATOM 521 CZ3 TRP A 34 -5.901 26.589 -2.130 1.00 13.33 C ATOM 522 CH2 TRP A 34 -6.084 25.791 -1.008 1.00 4.01 C ATOM 0 H TRP A 34 -5.128 22.449 -6.158 1.00 62.51 H new ATOM 0 HA TRP A 34 -5.539 24.891 -7.826 1.00 72.22 H new ATOM 0 HB2 TRP A 34 -7.115 25.613 -6.235 1.00 25.03 H new ATOM 0 HB3 TRP A 34 -7.571 24.015 -6.790 1.00 25.03 H new ATOM 0 HD1 TRP A 34 -7.561 22.048 -4.938 1.00 0.20 H new ATOM 0 HE1 TRP A 34 -7.409 21.986 -2.350 1.00 61.31 H new ATOM 0 HE3 TRP A 34 -5.972 26.818 -4.298 1.00 73.32 H new ATOM 0 HZ2 TRP A 34 -6.675 23.820 -0.310 1.00 1.52 H new ATOM 0 HZ3 TRP A 34 -5.562 27.603 -1.976 1.00 13.33 H new ATOM 0 HH2 TRP A 34 -5.889 26.188 -0.023 1.00 4.01 H new ATOM 533 N ASN A 35 -4.095 24.521 -4.875 1.00 72.32 N ATOM 534 CA ASN A 35 -3.053 25.049 -4.011 1.00 71.00 C ATOM 535 C ASN A 35 -3.149 26.575 -3.976 1.00 32.23 C ATOM 536 O ASN A 35 -2.526 27.222 -3.136 1.00 33.22 O ATOM 537 CB ASN A 35 -1.663 24.674 -4.530 1.00 20.43 C ATOM 538 CG ASN A 35 -0.612 25.683 -4.061 1.00 21.51 C ATOM 539 OD1 ASN A 35 -0.169 26.545 -4.802 1.00 60.10 O ATOM 540 ND2 ASN A 35 -0.242 25.527 -2.794 1.00 52.43 N ATOM 0 H ASN A 35 -4.605 23.725 -4.492 1.00 72.32 H new ATOM 0 HA ASN A 35 -3.193 24.624 -3.017 1.00 71.00 H new ATOM 0 HB2 ASN A 35 -1.397 23.677 -4.180 1.00 20.43 H new ATOM 0 HB3 ASN A 35 -1.676 24.636 -5.619 1.00 20.43 H new ATOM 0 HD21 ASN A 35 0.454 26.151 -2.385 1.00 52.43 H new ATOM 0 HD22 ASN A 35 -0.654 24.784 -2.230 1.00 52.43 H new TER 547 ASN A 35